Water → 8-nitro-3,4-dihydro-2H-1,4-benzoxazepin-5-one
Reaction equation
[C:1]([O:2][C:3](=[O:5])[NH:8][CH2:9][CH2:10][O:11][c:12]1[c:13]([C:14]([OH:4])=[O:15])[cH:17][cH:18][c:19]([N+:21](=[O:22])[O-:23])[cH:20]1)([CH3:6])([CH3:7])[CH3:16].[CH3:31][N:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[Cl:49][CH2:50][Cl:51].[F:24][C:25]([F:26])([F:27])[C:28]([OH:29])=[O:30].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:38].[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[NH:8]1[CH2:9][CH2:10][O:11][c:12]2[c:13]([cH:17][cH:18][c:19]([N+:21](=[O:22])[O-:23])[cH:20]2)[C:14]1=[O:15]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-4a2420a2409d4e37a84004e19265ed16
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…